4-methyl-2-phenyl-4H-3,1-benzoxazine

C15H13NO — CID 102290952

IUPAC4-methyl-2-phenyl-4H-3,1-benzoxazine
SMILESCC1OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-11-13-9-5-6-10-14(13)16-15(17-11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyFSZQZJZHXNLNEO-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.86
Rot. Bonds1

About 4-methyl-2-phenyl-4H-3,1-benzoxazine

4-methyl-2-phenyl-4H-3,1-benzoxazine (PubChem CID 102290952) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-2-phenyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name4-methyl-2-phenyl-4H-3,1-benzoxazine
PubChem CID102290952
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-methyl-2-phenyl-4H-3,1-benzoxazine
SMILESCC1OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-11-13-9-5-6-10-14(13)16-15(17-11)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyFSZQZJZHXNLNEO-UHFFFAOYSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-4H-3,1-benzoxazine?
The IUPAC name of 4-methyl-2-phenyl-4H-3,1-benzoxazine (CID 102290952) is 4-methyl-2-phenyl-4H-3,1-benzoxazine.
What is the SMILES notation for 4-methyl-2-phenyl-4H-3,1-benzoxazine?
The canonical SMILES for 4-methyl-2-phenyl-4H-3,1-benzoxazine is CC1OC(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 4-methyl-2-phenyl-4H-3,1-benzoxazine?
The InChIKey is FSZQZJZHXNLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-13-9-5-6-10-14(13)16-15(17-11)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 4-methyl-2-phenyl-4H-3,1-benzoxazine?
4-methyl-2-phenyl-4H-3,1-benzoxazine has a molecular weight of 223.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-4H-3,1-benzoxazine is sourced from PubChem (CID 102290952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).